SCHEMBL13328043

SCHEMBL13328043

[2H]c1c(C)c([2H])c(C(=O)c2ccc[nH]2)c([2H])c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2353757 0.82 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2TSHRKDM4E
SCHEMBL3165089 0.81 TSHR (0.43) RAB9ANPC1SMN1; SMN2TSHRKDM4E
SCHEMBL3170794 0.79 CYP2D6 (0.43) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL3174320 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL13328057 0.79 TPMT (0.47) RAB9ANPC1SMN1; SMN2TSHRKDM4E
Acetic Acid SCHEMBL5593607 0.77 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2TSHRKDM4E
SCHEMBL9650611 0.76 PARP1 (0.50) SMN1; SMN2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL3181208 0.75 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL1074961 0.75 ALDH1A1 (0.56) RAB9ASMN1; SMN2TSHRL3MBTL1GAA
SCHEMBL371069 0.74 TSHR (0.54) RAB9ANPC1SMN1; SMN2TSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718277-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-05-18 US disclosed
US-7718087-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-05-18 US disclosed
US-7704610-B2 organic light emitting device comprising deuterated organic iridium complex; optoelectronic devices, photovoltaic devices; enhanced color properties and light output efficiencies GENERAL ELECTRIC COMPANY (US) 2010-04-27 US disclosed
US-20100090586-A1 ELECTRONIC DEVICES COMPRISING ORGANIC IRIDIUM COMPOSITIONS GENERAL ELECTRIC COMPANY 2010-04-15 US disclosed
US-7695640-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-04-13 US disclosed
US-7691292-B2 organic light emitters; photovoltaic cells; electrophosphorescent GENERAL ELECTRIC COMPANY (US) 2010-04-06 US disclosed
US-7691494-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-04-06 US disclosed
US-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY 2010-03-04 US disclosed
US-7652151-B2 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-01-26 US disclosed
US-7608677-B2 Method for preparing polymeric organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2009-10-27 US disclosed
US-20080023672-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026250-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080023671-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026477-A1 Method for preparing polymeric organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2008-01-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions OR10J3, OPRD1, OCIAD1 RAB9A 3308/4885NPC1 4517/4885SMN1; SMN2 4698/4885
US-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES OCIAD1, OCIAD2, OXER1 RAB9A 2855/4885NPC1 2852/4885SMN1; SMN2 4277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.